ChemSpider 2D Image | (2R)-1-{3-[(Trifluoromethyl)sulfanyl]phenyl}-2-propanamine | C10H12F3NS

(2R)-1-{3-[(Trifluoromethyl)sulfanyl]phenyl}-2-propanamine

  • Molecular FormulaC10H12F3NS
  • Average mass235.269 Da
  • Monoisotopic mass235.064255 Da
  • ChemSpider ID65707711

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-1-{3-[(Trifluormethyl)sulfanyl]phenyl}-2-propanamin [German] [ACD/IUPAC Name]
(2R)-1-{3-[(Trifluoromethyl)sulfanyl]phenyl}-2-propanamine [ACD/IUPAC Name]
(2R)-1-{3-[(Trifluorométhyl)sulfanyl]phényl}-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, α-methyl-3-[(trifluoromethyl)thio]-, (αR)- [ACD/Index Name]
(2R)-1-{3-[(trifluoromethyl)sulfanyl]phenyl}propan-2-amine
2227706-27-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 220.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.7±3.0 kJ/mol
Flash Point: 86.9±27.3 °C
Index of Refraction: 1.515
Molar Refractivity: 57.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.07
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.22
Polar Surface Area: 51 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 36.3±5.0 dyne/cm
Molar Volume: 189.8±5.0 cm3

Click to predict properties on the Chemicalize site


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